Compound Identification
SMILES
COC1=CC(C(=O)OCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)=C(Br)C=C1
InChIKey
InChIKey=MRSACYAEENKZHK-UHFFFAOYSA-N
Formula
C18H24BrNO6S
Mass
462.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
M-methoxybenzoic acids and derivatives
Alternative Parents
2-halobenzoic acids and derivatives Benzoic acid esters Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous halides Thiolanes Tertiary carboxylic acid amides Sulfones Carboxylic acid esters Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Bromobenzene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Thiolane - Tertiary carboxylic acid amide - Sulfone - Vinylogous halide - Carboxylic acid ester - Carboxamide group - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available